Geometry & MOs

Info

ID:	257777
PubChem CID:	103148544
Reduced:	OSN2F3C13H21 (1)
Stoich.:	ABC2D3E13F21 (1)
Weight, g/mol:	319.142899
ΔH_f, kcal/mol:	-205.24
Dipole, Da:	2.66
IP(EA), eV:	-8.85(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine

Drug info:

PubChemData

Smile

CCNC(CCOCC(F)(F)F)CC1=NC(=C(S1)C)C

DOS

IR

Vibrations